N-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide

C25H26ClN3O2 — CID 42499051

IUPACN-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(CN2CCC(c3ccccc3)CC2)[nH]c1=O
InChIInChI=1S/C25H26ClN3O2/c26-23-9-5-4-8-20(23)16-27-24(30)22-11-10-21(28-25(22)31)17-29-14-12-19(13-15-29)18-6-2-1-3-7-18/h1-11,19H,12-17H2,(H,27,30)(H,28,31)
InChIKeyUGQBYCRREHZIMC-UHFFFAOYSA-N
MW435.96 g/mol
LogP4.34
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide

N-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide (PubChem CID 42499051) has the molecular formula C25H26ClN3O2 and a molecular weight of 435.96 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide
PubChem CID42499051
Molecular FormulaC25H26ClN3O2
Molecular Weight435.96 g/mol
Exact Mass435.17
IUPAC NameN-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(CN2CCC(c3ccccc3)CC2)[nH]c1=O
InChIInChI=1S/C25H26ClN3O2/c26-23-9-5-4-8-20(23)16-27-24(30)22-11-10-21(28-25(22)31)17-29-14-12-19(13-15-29)18-6-2-1-3-7-18/h1-11,19H,12-17H2,(H,27,30)(H,28,31)
InChIKeyUGQBYCRREHZIMC-UHFFFAOYSA-N
XLogP4.34
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-N-[(3S)-2-oxoazepan-3-yl]-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide
CID 126464503
6-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 60513495
N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(pyrrolidin-1-ylmethyl)-1H-pyridine-3-carboxamide
CID 26325914
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 46069191
4-[(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 95725305
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
1-(2-amino-2-oxoethyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16909154
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
N-[(2-chlorophenyl)methyl]-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81495926
N-[(2-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284707
2-chloro-6-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide
CID 23108497
N-(2-adamantylmethyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide
CID 42451071

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide (CID 42499051) is N-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide is O=C(NCc1ccccc1Cl)c1ccc(CN2CCC(c3ccccc3)CC2)[nH]c1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide?
The InChIKey is UGQBYCRREHZIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2/c26-23-9-5-4-8-20(23)16-27-24(30)22-11-10-21(28-25(22)31)17-29-14-12-19(13-15-29)18-6-2-1-3-7-18/h1-11,19H,12-17H2,(H,27,30)(H,28,31).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide has a molecular weight of 435.96 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 42499051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).